1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide

C17H22ClNO2 — CID 102867355

IUPAC1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
SMILESO=C(N(CCO)C1CCC1)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C17H22ClNO2/c18-14-5-1-4-13(12-14)17(8-3-9-17)16(21)19(10-11-20)15-6-2-7-15/h1,4-5,12,15,20H,2-3,6-11H2
InChIKeyLBJHOGFZJTVKLD-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.14
Rot. Bonds5

About 1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide (PubChem CID 102867355) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
PubChem CID102867355
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
SMILESO=C(N(CCO)C1CCC1)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C17H22ClNO2/c18-14-5-1-4-13(12-14)17(8-3-9-17)16(21)19(10-11-20)15-6-2-7-15/h1,4-5,12,15,20H,2-3,6-11H2
InChIKeyLBJHOGFZJTVKLD-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 102867305
N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 43576656
N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylcyclopropane-1-carboxamide
CID 43577241
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229
1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide
CID 86874276
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
CID 107318994
1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119553957
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
[1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102785318

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide (CID 102867355) is 1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide is O=C(N(CCO)C1CCC1)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The InChIKey is LBJHOGFZJTVKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c18-14-5-1-4-13(12-14)17(8-3-9-17)16(21)19(10-11-20)15-6-2-7-15/h1,4-5,12,15,20H,2-3,6-11H2.
What are the key properties of 1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide has a molecular weight of 307.82 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 102867355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).